General Information of the Compound
| Compound ID |
CP0518027
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| Compound Name |
[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl 2,7,7-trimethyl-5-oxo-4-(4-phenylphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate
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| Structure |
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| Formula |
C36H44N2O5
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| Molecular Weight |
584.757
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| Canonical SMILES |
CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1ccc(cc1)-c1ccccc1)C(=O)OCC1CCN(CC1)C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C36H44N2O5/c1-23-30(33(40)42-22-24-16-18-38(19-17-24)34(41)43-35(2,3)4)31(32-28(37-23)20-36(5,6)21-29(32)39)27-14-12-26(13-15-27)25-10-8-7-9-11-25/h7-15,24,31,37H,16-22H2,1-6H3
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| InChIKey |
ULMZVWDZDWFBMP-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound